9-quinolin-8-ylsulfonyl-3H-purine-2,6-dione

Systemtic Name: 9-quinolin-8-ylsulfonyl-3H-purine-2,6-dione Openeye Name: 9-(8-quinolylsulfonyl)-3H-purine-2,6-dione CAS Name: 9-(8-quinolinylsulfonyl)-3H-purine-2,6-dione IUPAC Name: 9-quinolin-8-ylsulfonyl-3H-purine-2,6-dione Traditional Name: 9-(8-quinolylsulfonyl)xanthine Formula: C14H9N5O4S MolecularWeight: 343.31736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)N3C=NC4=C3NC(=O)NC4=O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N3C=NC4=C3NC(=O)NC4=O)N=CC=C2

InChI

InChI=1S/C14H9N5O4S/c20-13-11-12(17-14(21)18-13)19(7-16-11)24(22,23)9-5-1-3-8-4-2-6-15-10(8)9/h1-7H,(H2,17,18,20,21)